Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b37c76df7431870a532dc91dd97346a4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.01,
"b": 53.62,
"c": 44.73,
"alpha": 90.0,
"beta": 101.3,
"gamma": 90.0
},
"wavelengths": [0.91199],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.90,2.27],
"number_observations": 41690,
"number_observations_unique": 12264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.27],
"number_observations": 3158,
"number_observations_unique": 901,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.365
},
{
"type": "R(meas)",
"value": 2.790
},
{
"type": "R(pim)",
"value": 1.469
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.257
}
]
}
]
}